General Information of the Compound
| Compound ID |
CP0413408
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| Compound Name |
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-hydroxybenzenesulfonamide
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| Structure |
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| Formula |
C23H26ClN3O3S
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| Molecular Weight |
459.999
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| Canonical SMILES |
Oc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H26ClN3O3S/c24-18-6-7-23-21(14-18)22(16-25-23)17-8-12-27(13-9-17)11-2-1-10-26-31(29,30)20-5-3-4-19(28)15-20/h3-8,14-16,25-26,28H,1-2,9-13H2
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| InChIKey |
DRKYMKSMHOHHEL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter